2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride

C7H12ClNO — CID 173399852

IUPAC2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
SMILESC=CCNC(=O)C(=C)C.Cl
InChIInChI=1S/C7H11NO.ClH/c1-4-5-8-7(9)6(2)3;/h4H,1-2,5H2,3H3,(H,8,9);1H
InChIKeyZREZRMJYABPLOK-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride

2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride (PubChem CID 173399852) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
PubChem CID173399852
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
SMILESC=CCNC(=O)C(=C)C.Cl
InChIInChI=1S/C7H11NO.ClH/c1-4-5-8-7(9)6(2)3;/h4H,1-2,5H2,3H3,(H,8,9);1H
InChIKeyZREZRMJYABPLOK-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 173174542
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 170312059
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
N-but-3-enyl-2-methylprop-2-enamide;urea
CID 87079419
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
3-(2-methylprop-2-enoylamino)prop-1-ene-1-sulfonic acid
CID 173290774
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
CID 87504024
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride?
The IUPAC name of 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride (CID 173399852) is 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride?
The canonical SMILES for 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride is C=CCNC(=O)C(=C)C.Cl.
What is the InChIKey of 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride?
The InChIKey is ZREZRMJYABPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-4-5-8-7(9)6(2)3;/h4H,1-2,5H2,3H3,(H,8,9);1H.
What are the key properties of 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride?
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride is sourced from PubChem (CID 173399852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).